3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide

C18H16ClNOS2 — CID 119104237

IUPAC3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NC(c1ccsc1)c1cccs1
InChIInChI=1S/C18H16ClNOS2/c19-15-4-1-3-13(11-15)6-7-17(21)20-18(14-8-10-22-12-14)16-5-2-9-23-16/h1-5,8-12,18H,6-7H2,(H,20,21)
InChIKeyFVGMWLAZGJALHQ-UHFFFAOYSA-N
MW361.92 g/mol
LogP5.30
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide

3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide (PubChem CID 119104237) has the molecular formula C18H16ClNOS2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
PubChem CID119104237
Molecular FormulaC18H16ClNOS2
Molecular Weight361.92 g/mol
Exact Mass361.04
IUPAC Name3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NC(c1ccsc1)c1cccs1
InChIInChI=1S/C18H16ClNOS2/c19-15-4-1-3-13(11-15)6-7-17(21)20-18(14-8-10-22-12-14)16-5-2-9-23-16/h1-5,8-12,18H,6-7H2,(H,20,21)
InChIKeyFVGMWLAZGJALHQ-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.92
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 129354627
2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 121021409
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
2-cyclopropyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 119104241
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 121021387
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-thiophen-3-ylpropanoate
CID 8631099
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
CID 129355017
2-(2-fluorophenoxy)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 129355138

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide (CID 119104237) is 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide is O=C(CCc1cccc(Cl)c1)NC(c1ccsc1)c1cccs1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
The InChIKey is FVGMWLAZGJALHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNOS2/c19-15-4-1-3-13(11-15)6-7-17(21)20-18(14-8-10-22-12-14)16-5-2-9-23-16/h1-5,8-12,18H,6-7H2,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide has a molecular weight of 361.92 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide is sourced from PubChem (CID 119104237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).